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Ethyl 2-(octadecylthio)benzoate

View entire compound with spectra: 2 NMR, and 1 FTIR

Ethyl 2-(octadecylthio)benzoate
SpectraBase Compound ID JnqRbD2Gzmg
InChI InChI=1S/C27H46O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-30-26-23-20-19-22-25(26)27(28)29-4-2/h19-20,22-23H,3-18,21,24H2,1-2H3
InChIKey XDOLGRZYUPFCPJ-UHFFFAOYSA-N
Mol Weight 434.7 g/mol
Molecular Formula C27H46O2S
Exact Mass 434.321852 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5tT8vmhXo64
Name Ethyl 2-(octadecylthio)benzoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 389706
CAS Registry Number 74010-84-7
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H46O2S
InChI InChI=1S/C27H46O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-24-30-26-23-20-19-22-25(26)27(28)29-4-2/h19-20,22-23H,3-18,21,24H2,1-2H3
InChIKey XDOLGRZYUPFCPJ-UHFFFAOYSA-N
Observed nucleus 13C
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Benzoic acid,2-(octadecylthio)-, ethyl ester
Wiley ID SIAL_13CNMR_008507